2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one

C19H13F4N5OS — CID 146622783

IUPAC2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(F)c(-c3cscn3)c2)(c2cc(C(F)(F)F)ccn2)N=C1N
InChIInChI=1S/C19H13F4N5OS/c1-28-16(29)18(27-17(28)24,15-7-11(4-5-25-15)19(21,22)23)10-2-3-13(20)12(6-10)14-8-30-9-26-14/h2-9H,1H3,(H2,24,27)
InChIKeyDNKBDVNJTXEJPE-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.39
Rot. Bonds3

About 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one

2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one (PubChem CID 146622783) has the molecular formula C19H13F4N5OS and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
PubChem CID146622783
Molecular FormulaC19H13F4N5OS
Molecular Weight435.41 g/mol
Exact Mass435.08
IUPAC Name2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(F)c(-c3cscn3)c2)(c2cc(C(F)(F)F)ccn2)N=C1N
InChIInChI=1S/C19H13F4N5OS/c1-28-16(29)18(27-17(28)24,15-7-11(4-5-25-15)19(21,22)23)10-2-3-13(20)12(6-10)14-8-30-9-26-14/h2-9H,1H3,(H2,24,27)
InChIKeyDNKBDVNJTXEJPE-UHFFFAOYSA-N
XLogP3.39
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one (CID 146622783) is 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one is CN1C(=O)C(c2ccc(F)c(-c3cscn3)c2)(c2cc(C(F)(F)F)ccn2)N=C1N.
What is the InChIKey of 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
The InChIKey is DNKBDVNJTXEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5OS/c1-28-16(29)18(27-17(28)24,15-7-11(4-5-25-15)19(21,22)23)10-2-3-13(20)12(6-10)14-8-30-9-26-14/h2-9H,1H3,(H2,24,27).
What are the key properties of 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one has a molecular weight of 435.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one is sourced from PubChem (CID 146622783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).